N-(2-ethyl-6-methyl-phenyl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[4-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]propanamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[[4-[[(E)-3-phenylacryloyl]amino]phenyl]thio]propionamide Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C=CC3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C27H28N2O2S/c1-4-22-12-8-9-19(2)26(22)29-27(31)20(3)32-24-16-14-23(15-17-24)28-25(30)18-13-21-10-6-5-7-11-21/h5-18,20H,4H2,1-3H3,(H,28,30)(H,29,31)/b18-13+